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Chemical ID: 6483012
Chemical ID:
6483012
Name [?]:
N-(1-phenylethyl)-1-(4-pyridylmethyl)piperidine-4-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)C2CCN(CC2)Cc3ccncc3
InChi [?]:
InChI=1/C20H25N3O/c1-16(18-5-3-2-4-6-18)22-20(24)19-9-13-23(14-10-19)15-17-7-11-21-12-8-17/h2-8,11-12,16,19H,9-10,13-15H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,20,24,13,17,21,23,14,16,18,2,19,3,12,10,22,9,15,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24cCCCCCCCCNCOCCCNCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4405 |
Area: | 554.682 |
Solvation: | -3.42658 |
Coulombic: | -31.2906 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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